%chk=000240512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240512

0 1
P 0.856708 -0.482858 -1.051813
O -0.350964 2.344661 0.806858
O -3.185594 -0.812995 0.363398
O -0.333590 2.641273 -1.438702
O -4.202203 0.754507 -0.915474
C -0.748960 0.428276 -0.456545
C -1.895789 0.069454 -1.395700
C 2.201211 0.465087 -0.159271
C 0.779778 -2.123475 -0.156902
C -0.461413 1.901781 -0.490765
C -3.222635 0.094698 -0.674476
C 2.773659 1.535350 -0.851423
C -0.400097 -2.625297 0.393283
C 2.639094 0.125400 1.121995
C 1.953454 -2.885180 -0.141316
C 3.800574 2.273394 -0.249897
C -0.402180 -3.900534 0.973625
C 3.668784 0.864662 1.716360
C 1.944629 -4.156741 0.441807
C 4.248891 1.936901 1.030958
C 0.766796 -4.665468 0.999604
C -0.032168 3.755399 1.031997
C -4.385221 -0.970235 1.186860
C -1.258605 4.608259 0.786954
C -5.403150 -1.818087 0.454124
H -0.979279 0.105835 0.595408
H -1.943588 0.782459 -2.258693
H -1.779502 -0.937394 -1.860608
H 2.438529 1.823077 -1.852430
H -1.337338 -2.057370 0.393105
H 2.199089 -0.704848 1.678651
H 2.886631 -2.515662 -0.572271
H 4.251268 3.108383 -0.783447
H -1.320627 -4.295241 1.404488
H 4.016462 0.604831 2.714334
H 2.855583 -4.752440 0.458334
H 5.050362 2.509639 1.495174
H 0.761467 -5.656124 1.450801
H 0.279213 3.728231 2.092153
H 0.816075 4.027907 0.379339
H -4.770253 0.034044 1.439275
H -3.961995 -1.466211 2.079093
H -1.091307 5.649795 1.083385
H -2.128727 4.235553 1.342517
H -1.535007 4.607844 -0.279418
H -5.809485 -1.284603 -0.419112
H -4.962852 -2.753289 0.085946
H -6.249425 -2.078050 1.101039


%chk=000240512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240512

0 1
P 1.001798 -0.502428 -1.185338
O -0.412545 2.350697 0.735596
O -3.261726 -0.706767 0.437740
O -0.388054 2.516426 -1.595126
O -4.082053 0.842442 -1.105757
C -0.637727 0.315941 -0.505789
C -1.824441 -0.146896 -1.399009
C 2.276697 0.423243 -0.130774
C 0.938534 -2.177065 -0.301429
C -0.475617 1.823626 -0.552967
C -3.169641 0.078547 -0.722779
C 2.917509 1.538403 -0.730378
C -0.162577 -2.663933 0.448216
C 2.611239 0.061213 1.197668
C 2.064509 -3.023792 -0.492725
C 3.873841 2.287342 -0.006516
C -0.129404 -3.966083 1.002612
C 3.572230 0.806547 1.917867
C 2.100438 -4.317376 0.071048
C 4.204178 1.921771 1.318927
C 0.999589 -4.795301 0.821120
C -0.206609 3.830699 0.841355
C -4.532166 -0.596090 1.221892
C -1.549597 4.564394 0.796418
C -5.593651 -1.552514 0.671907
H -0.775072 0.011142 0.543437
H -1.808172 0.409266 -2.349928
H -1.729054 -1.225979 -1.619513
H 2.668311 1.818246 -1.760700
H -1.055677 -2.051642 0.612405
H 2.128016 -0.802810 1.667201
H 2.918554 -2.668709 -1.082607
H 4.363636 3.145732 -0.480043
H -0.989784 -4.327719 1.577226
H 3.825814 0.517584 2.944269
H 2.981156 -4.951415 -0.080823
H 4.951712 2.496038 1.878185
H 1.021378 -5.802037 1.253133
H 0.304022 3.949320 1.810245
H 0.456105 4.150134 0.018215
H -4.876094 0.452351 1.181065
H -4.227320 -0.857250 2.248000
H -1.387753 5.647277 0.952803
H -2.225918 4.198570 1.588250
H -2.039053 4.426370 -0.182157
H -5.892426 -1.260607 -0.348663
H -5.218581 -2.590446 0.652966
H -6.492253 -1.521863 1.315856


